| CAS Number | 929974-41-4 |
| Catalog Number | AG019KED |
| Chemical Name | 2-amino-1-(4-hydroxyphenyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile |
| IUPAC Name | 2-amino-1-(4-hydroxyphenyl)-4,5-dimethylpyrrole-3-carbonitrile |
| InChI | InChI=1S/C13H13N3O/c1-8-9(2)16(13(15)12(8)7-14)10-3-5-11(17)6-4-10/h3-6,17H,15H2,1-2H3 |
| InChI Key | ORLWWXAAGUIXEC-UHFFFAOYSA-N |
| MDL Number | MFCD08729224 |
| Molecular Formula | C13H13N3O |
| Molecular Weight | 227.2618 |
| SMILES | CC1C(C#N)=C(N)N(C2=CC=C(O)C=C2)C=1C |
| Synonyms | 2-amino-1-(4-hydroxyphenyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile,
929974-41-4,
EN300-26597,
AC1Q2DMI,
CTK7C6593,
ZINC9118005,
AKOS022183674,
MCULE-4993943693,
NE62437,
AJ-59362,
Z228474564,
1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-hydroxyphenyl)-4,5-dimethyl-,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.267g/mol |
| Monoisotopic Mass | 227.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number